cMOF Evidence Base
Diffraction Structure — Hydrolytically Stable Luminescent Cationic Metal Organic Framework for Highly Sensitive and Selective Sensing of Chromate Anions in Natural Water Systems

Measurement evidence

Diffraction Structure

Hydrolytically Stable Luminescent Cationic Metal Organic Framework for Highly Sensitive and Selective Sensing of Chromate Anions in Natural Water Systems · Liu W., Wang Y., Bai Z. et al. · ACS Applied Materials and Interfaces · 2017 · 16448-16457

2 measurement groups · 18 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

Powder X-ray diffraction (PXRD)

X-ray diffraction and scattering

solution-treated samples of 1 for hydrolytic stability · Powder

PXRD from 5 to 50 deg, step 0.02 deg, 0.2 s collection time, Cu Kalpha radiation. Samples treated in pH media, salts, Dushu Lake water or seawater for 24 h before analysis.

Atmosphere
aqueous treatment media; PXRD atmosphere not specified
Context
post-treatment pristine framework
Measurement source
p002 and p004 / article pp.16449, 16451 · Experimental Section; Results and Discussion - Stability Test · Figures 2 and S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD-retained stability pH rangeMarked as a best value within this paperPXRD patterns after immersion from pH 2 to 12 are almost identical to original sample——Text
Qualitative		p004 / article p.16451 · Results and Discussion - Stability Test · Figure S3
PXRD stability in salts and natural-water mediaStable by PXRD after treatment with 100 ppm anion/cation salt solutions, Dushu lake water, and seawater——Text
Qualitative		p004 / article p.16451 · Results and Discussion - Stability Test · Figures 2 and S3

Single-crystal X-ray diffraction; Bruker D8-Venture with Mo Kalpha radiation in main text; CIF reports Bruker apex II, MoKalpha, SHELXL-2014/7 refinement

X-ray diffraction and scattering

as-synthesised light yellow block crystals of 1 · Single Crystal

Data collection reported at 273 K in main text; SI table and CIF report 296(2) K. Structure solved by direct methods and refined on F2.

Temperature
273 in main text; 296(2) in SI/CIF
Context
pristine framework
Measurement source
p002 / article p.16449 · Experimental Section - X-ray Crystallography Studies · Tables S1 and S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
unit-cell aa = 12.1769(16) A—(16)SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
unit-cell alphaalpha = 63.706(6) deg—(6)SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
unit-cell bb = 13.5053(18) A—(18)SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
unit-cell betabeta = 66.284(6) deg—(6)SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
unit-cell cc = 14.1158(17) A—(17)SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
unit-cell gammagamma = 85.610(7) deg—(7)SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
unit-cell volumeV = 1890.8(4) A3—(4)SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
rhombic channel dimension, side 17.2 x 6.4 A2 rhombic channels along c axis——Text
Rounded Reported		p003 / article p.16450 · Results and Discussion - Structure and General Characterizations · Figure 1
rhombic channel dimension, side 27.2 x 6.4 A2 rhombic channels along c axis——Text
Rounded Reported		p003 / article p.16450 · Results and Discussion - Structure and General Characterizations · Figure 1
CIF formula weight1523.13——Table
Exact Reported		CIF text · data_1 · _chemical_formula_weight
calculated crystal densityDc = 1.327 g cm-3——SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
elemental analysis calculated/foundcalcd C 43.28%, N 2.57%, H 3.16%; found C 44.74%, N 2.58%, H 4.33%——Text
Exact Reported		p002 / article p.16449 · Experimental Section - Synthesis
R1 for I > 2sigma(I)R1 = 0.0670 for I > 2sigma(I)——SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
space groupP-1——SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
wR2 for I > 2sigma(I)wR2 = 0.1320 for I > 2sigma(I)——SI Table
Exact Reported		p003 / SI p.S-3 · S1. Crystallographic data · Table S1
isolated yield based on europiumca. 60% yield (based on europium)—ca.Text
Approximate		p002 / article p.16449 · Experimental Section - Synthesis